(2-ethylhexylamino)carbamic acid

C9H20N2O2 — CID 151602670

IUPAC(2-ethylhexylamino)carbamic acid
SMILESCCCCC(CC)CNNC(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-5-6-8(4-2)7-10-11-9(12)13/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQKUXLDPLAXOIJF-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.98
Rot. Bonds7

About (2-ethylhexylamino)carbamic acid

(2-ethylhexylamino)carbamic acid (PubChem CID 151602670) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-ethylhexylamino)carbamic acid.

Molecular Properties

Compound Name(2-ethylhexylamino)carbamic acid
PubChem CID151602670
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2-ethylhexylamino)carbamic acid
SMILESCCCCC(CC)CNNC(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-5-6-8(4-2)7-10-11-9(12)13/h8,10-11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQKUXLDPLAXOIJF-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-ethylhexylamino)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
(2S)-2-(2-ethylhexylamino)pentanedioic acid
CID 87572097
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-ethylhexylcarbamic acid;octan-3-amine
CID 173173211
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
1-dodecyl-2-(2-ethylhexyl)hydrazine
CID 57178543
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
[bis(2-ethylhexyl)amino]carbamic acid
CID 174534036
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030

Frequently Asked Questions

What is the IUPAC name of (2-ethylhexylamino)carbamic acid?
The IUPAC name of (2-ethylhexylamino)carbamic acid (CID 151602670) is (2-ethylhexylamino)carbamic acid.
What is the SMILES notation for (2-ethylhexylamino)carbamic acid?
The canonical SMILES for (2-ethylhexylamino)carbamic acid is CCCCC(CC)CNNC(=O)O.
What is the InChIKey of (2-ethylhexylamino)carbamic acid?
The InChIKey is QKUXLDPLAXOIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-6-8(4-2)7-10-11-9(12)13/h8,10-11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of (2-ethylhexylamino)carbamic acid?
(2-ethylhexylamino)carbamic acid has a molecular weight of 188.27 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylhexylamino)carbamic acid is sourced from PubChem (CID 151602670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).